SCHEMBL29954014

SCHEMBL29954014

OB(O)c1cccc2ccc(OC(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.40
MTNR1B P49286 5/20 0.40
HTR2C P28335 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
NQO2 P16083 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM2 Q14416 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29952009 0.88 MAPT (0.37) MTNR1AMTNR1BPPARGPPARAMAPT
SCHEMBL29956515 0.81 TRPV1 (0.43) MTNR1AMTNR1B
SCHEMBL29951536 0.80 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL31247999 0.80 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL29954109 0.76 UGT2B7 (0.38) TSHRMEN1KMT2A
SCHEMBL29957321 0.74 NPC1 (0.37) PPARGPPARAMAPTTSHRMEN1
SCHEMBL16061157 0.73 CYP1A2 (0.43) MEN1KMT2A
SCHEMBL22703183 0.72 ALOX5 (0.59) CYP3A4MRGPRX4CYP2C19
SCHEMBL12646813 0.72 CYP1A2 (0.52) PPARGPPARAMAPTTSHRMEN1
SCHEMBL25411980 0.71 LMNA (0.43) MAPTTSHRMEN1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed